N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide

C20H21ClN4O2S — CID 59829525

IUPACN-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
SMILESCc1c(CN(C)C(=O)c2ccccc2)sc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C20H21ClN4O2S/c1-13-15(12-24(2)19(26)14-6-4-3-5-7-14)28-17-16(13)22-20(21)23-18(17)25-8-10-27-11-9-25/h3-7H,8-12H2,1-2H3
InChIKeyFWJKFQXGTTYAPI-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.76
Rot. Bonds4

About N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide

N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide (PubChem CID 59829525) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
PubChem CID59829525
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC NameN-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
SMILESCc1c(CN(C)C(=O)c2ccccc2)sc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C20H21ClN4O2S/c1-13-15(12-24(2)19(26)14-6-4-3-5-7-14)28-17-16(13)22-20(21)23-18(17)25-8-10-27-11-9-25/h3-7H,8-12H2,1-2H3
InChIKeyFWJKFQXGTTYAPI-UHFFFAOYSA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
CID 162026956
N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide
CID 90831532
N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide
CID 25109497
(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide
CID 86624248
2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol
CID 86624291
4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 87616465
N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide
CID 90690493
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 30019585
N,4-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 24516551
N-benzyl-2-chloro-N-methyl-8-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine
CID 19961987
4-chloro-10,10-dimethyl-6-morpholin-4-yl-11-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 70676607
4-methyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 139881756

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide?
The IUPAC name of N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide (CID 59829525) is N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide?
The canonical SMILES for N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide is Cc1c(CN(C)C(=O)c2ccccc2)sc2c(N3CCOCC3)nc(Cl)nc12.
What is the InChIKey of N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide?
The InChIKey is FWJKFQXGTTYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-13-15(12-24(2)19(26)14-6-4-3-5-7-14)28-17-16(13)22-20(21)23-18(17)25-8-10-27-11-9-25/h3-7H,8-12H2,1-2H3.
What are the key properties of N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide?
N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide has a molecular weight of 416.93 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 59829525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).